3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

C11H14N2O — CID 73124019

IUPAC3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CCC2(O)c3ccccc3NC12
InChIInChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3
InChIKeyCBQYNPHHHJTCJS-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds

About 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol (PubChem CID 73124019) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
PubChem CID73124019
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CCC2(O)c3ccccc3NC12
InChIInChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3
InChIKeyCBQYNPHHHJTCJS-UHFFFAOYSA-N
XLogP0.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The IUPAC name of 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol (CID 73124019) is 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol.
What is the SMILES notation for 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The canonical SMILES for 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol is CN1CCC2(O)c3ccccc3NC12.
What is the InChIKey of 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The InChIKey is CBQYNPHHHJTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3.
What are the key properties of 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol has a molecular weight of 190.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol is sourced from PubChem (CID 73124019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).